N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide

C19H24N2O3S — CID 9158355

IUPACN-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
SMILESCc1ccc(C)c(S(=O)(=O)[C@H](CNC(=O)C(C)C)c2cccnc2)c1
InChIInChI=1S/C19H24N2O3S/c1-13(2)19(22)21-12-18(16-6-5-9-20-11-16)25(23,24)17-10-14(3)7-8-15(17)4/h5-11,13,18H,12H2,1-4H3,(H,21,22)/t18-/m1/s1
InChIKeyXIMBKVDJXZBOMD-GOSISDBHSA-N
MW360.48 g/mol
LogP2.99
Rot. Bonds6

About N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide

N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide (PubChem CID 9158355) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
PubChem CID9158355
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
SMILESCc1ccc(C)c(S(=O)(=O)[C@H](CNC(=O)C(C)C)c2cccnc2)c1
InChIInChI=1S/C19H24N2O3S/c1-13(2)19(22)21-12-18(16-6-5-9-20-11-16)25(23,24)17-10-14(3)7-8-15(17)4/h5-11,13,18H,12H2,1-4H3,(H,21,22)/t18-/m1/s1
InChIKeyXIMBKVDJXZBOMD-GOSISDBHSA-N
XLogP2.99
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 9158318
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethylbenzamide
CID 9158507
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
CID 9158549
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9153191
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9158307
2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide
CID 9151804
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9156623
N-ethyl-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155037
N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155029
2-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 9157462
N-(2-methoxyethyl)-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155285
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide
CID 9153392

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide?
The IUPAC name of N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide (CID 9158355) is N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide?
The canonical SMILES for N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide is Cc1ccc(C)c(S(=O)(=O)[C@H](CNC(=O)C(C)C)c2cccnc2)c1.
What is the InChIKey of N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide?
The InChIKey is XIMBKVDJXZBOMD-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13(2)19(22)21-12-18(16-6-5-9-20-11-16)25(23,24)17-10-14(3)7-8-15(17)4/h5-11,13,18H,12H2,1-4H3,(H,21,22)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide?
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide has a molecular weight of 360.48 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide is sourced from PubChem (CID 9158355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).